SCHEMBL2769368

SCHEMBL2769368

CC(C)c1ccccc1NC(=S)Nc1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
EPHX2 P34913 4/20 0.44
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CFTR P13569 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2787490 0.87 POLB (0.42) POLBTP53SMN1; SMN2MAPTGAA
SCHEMBL2771566 0.83 ALDH1A1 (0.50) EPHX2TP53SMN1; SMN2MAPTGAA
SCHEMBL2768746 0.82 TP53 (0.48) EPHX2TP53SMN1; SMN2MAPTGAA
SCHEMBL2768259 0.80 EPHX2 (0.65) EPHX2TP53SMN1; SMN2MAPTGAA
SCHEMBL2772189 0.80 HIF1A (0.58) EPHX2TP53SMN1; SMN2MAPTGAA
SCHEMBL2768684 0.78 SMN1; SMN2 (0.51) POLBEPHX2TP53SMN1; SMN2MAPT
SCHEMBL2770755 0.77 EPHX2 (0.67) EPHX2TP53SMN1; SMN2MAPTALOX12
SCHEMBL2769319 0.76 ALDH1A1 (0.55) EPHX2TP53SMN1; SMN2MAPTGAA
SCHEMBL2770368 0.75 MAPT (0.52) POLBTP53SMN1; SMN2MAPTGAA
SCHEMBL2768300 0.74 SMN1; SMN2 (0.48) EPHX2TP53SMN1; SMN2MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 POLB 4243/4885EPHX2 3694/4885TP53 4784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.